N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(3-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[4-(3-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-piperonyl-thiazole-4-carboxamide Formula: C26H19ClN6O3S2 MolecularWeight: 563.05046

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CSC(=N3)CSC4=NN=C(N4C5=CC(=CC=C5)Cl)C6=CC=NC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CSC(=N3)CSC4=NN=C(N4C5=CC(=CC=C5)Cl)C6=CC=NC=C6

InChI

InChI=1S/C26H19ClN6O3S2/c27-18-2-1-3-19(11-18)33-24(17-6-8-28-9-7-17)31-32-26(33)38-14-23-30-20(13-37-23)25(34)29-12-16-4-5-21-22(10-16)36-15-35-21/h1-11,13H,12,14-15H2,(H,29,34)